85650-50-6

Basic information

• Product Name: cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl toluene-p-sulphonate
• Synonyms: cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl toluene-p-sulphonate;2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol 4-methylbenzenesulfonate;Einecs 288-058-5;WAXNIYHZFWRPGS-UHFFFAOYSA-N
• CAS NO: 85650-50-6
• Molecular Formula: C₂₁H₂₀Cl₂N₂O₅S
• Molecular Weight: 483.3649
• EINECS: 288-058-5
• Mol File: 85650-50-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 665.7°Cat760mmHg
• Flash Point: 356.4°C
• Appearance: /
• Density: 1.44g/cm³
• Refractive Index: 1.636
• PKA: 6.88±0.12(Predicted)
• CAS DataBase Reference: cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl toluene-p-sulphonate(CAS DataBase Reference)
• NIST Chemistry Reference: cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl toluene-p-sulphonate(85650-50-6)
• EPA Substance Registry System: cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl toluene-p-sulphonate(85650-50-6)

Safety Data

• Hazardous Substances Data: 85650-50-6(Hazardous Substances Data)

Usage

General Description

Cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl toluene-p-sulphonate is a chemical compound that belongs to the class of sulphonates. It is composed of a toluene-p-sulphonate group attached to a dioxolan-4-ylmethyl group, a 2-(1H-imidazol-1-ylmethyl) group, and a 2-(2,4-dichlorophenyl) group. cis-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl toluene-p-sulphonate is commonly used in pharmaceuticals and agrochemicals as a stabilizer and preservative. It is also employed as a reagent in the synthesis of various organic compounds. Additionally, it has antifungal properties and is used in the treatment of fungal infections in both humans and animals.

InChI:InChI=1/C21H20Cl2N2O6S/c1-15-2-5-17(6-3-15)32(27,28)31-20(12-26)13-29-21(30-20,11-25-9-8-24-14-25)18-7-4-16(22)10-19(18)23/h2-10,14,26H,11-13H2,1H3/t20-,21-/m1/s1

Upstream product

• 83086-42-4 Benzoic acid (2R,4R)-2-(2,4-dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethyl ester; compound with nitric acid 
• 68751-57-5 2-(2,4-dichlorophenyl)-2-bromomethyl-4-hydroxymethyl-1,3-dioxolane 
• 61397-58-8 cis-2-(2,4-Dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolane-4-methanol 
• 98-59-9 p-toluenesulfonyl chloride 
• 2234-16-4 1-(2,4-dichlorophenyl)ethan-1-one 
• 70894-66-5 Benzoic acid (2R,4R)-2-(2,4-dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethyl ester 
• 61397-56-6 (+/-)-cis-[2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-yl]methyl benzoate 
• 172032-21-2 (2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl)methanol 

Relevant articles and documents

Synthesis, antifungal activity and structure-activity relationships of 2-(alkyl or aryl)-2-(alkyl or polyazol-1-ylmethyl)-4-(polyazol-1-ylmethyl)- 1,3-dioxolanes

A series of 2-(alkyl or aryl)-2-(alkyl or polyazol-1-ylmethyl)-4-(polyazol-1-ylmethyl)-1,3-dioxolanes Ia-u was synthesized and tested in vitro against pathogenic fungi in man, animals and plants: Candida albicans, Aspergillus flavus and Fusarium solani. Compounds Iq-t with two polyazol groups have an in vitro activity against these fungi with MIC (minimum inhibitory concentration) value of 5 μg mL-1.